sorbyl acetate
2,4-hexadienyl acetate
 
Notes:
Used as a food additive [EAFUS]
  • Bedoukian Research
    • Bedoukian Research, Inc.
      Perfecting the Art of Chemistry
      Working closely with our customers to meet their requirements.
      Dr. Paul Bedoukian founded the company in 1972 to fill a niche as a supplier of high quality specialty aroma molecules. Today, we offer more than 350 high impact aroma chemicals, while providing custom manufacturing services to the pharmaceutical, agrochemical, and specialty chemical industries.
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      Product(s):
      221 2,4-HEXADIENYL ACETATE ≥98.0%, Kosher
      SDS

      The spicy warm quality of this material can add depth to any fruit flavor, particularly pineapple and tropical flavors.
       
       
  • BOC Sciences
    • BOC Sciences
      Best of Chemicals Supplier
      Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds.
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      BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies.
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      Product(s):
      1516-17-2 2,4-HEXADIENYL ACETATE 98.0%
       
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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      Product(s):
      08-21100 2,4-HEXADIENYL ACETATE
       
Synonyms   Articles   Notes   Search
CAS Number: 1516-17-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 216-163-8
FDA UNII: 5416SJ1T8T
Nikkaji Web: J33.460J
MDL: MFCD00036521
CoE Number: 10675
XlogP3-AA: 1.60 (est)
Molecular Weight: 140.18204000
Formula: C8 H12 O2
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: Predominantly E,E
Category: flavoring agents and cosmetic fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 1780  2,4-hexadienyl acetate
DG SANTE Food Flavourings: 09.573  hexa-2,4-dienyl acetate
FEMA Number: 4132 2,4-hexadienyl acetate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):1516-17-2 ; 2,4-HEXADIENYL ACETATE
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00 % sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity: 0.90800 to 0.91400 @  25.00 °C.
Pounds per Gallon - (est).: 7.555 to  7.605
Refractive Index: 1.47000 to 1.47600 @  20.00 °C.
Boiling Point: 100.00 °C. @ 20.00 mm Hg
Boiling Point: 192.00 to  193.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.662000 mmHg @ 25.00 °C. (est)
Flash Point: 160.00 °F. TCC ( 71.11 °C. )
logP (o/w): 2.195 (est)
Soluble in:
 alcohol
 triacetin
 water, 747.7 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor Type: green
 
Odor Strength: medium
 
Substantivity: 2 hour(s) at 100.00 %
 
 fresh  green  oily  herbal  pumpkin  fresh  parsley  
Odor Description:
at 100.00 %. 
fresh green oily herbal pumpkin fresh parsley
Luebke, William tgsc, (2006)
 
 
Flavor Type: green
 
 fresh  green  herbal  soapy  metallic  
Taste Description:
at 25.00 ppm in water.  
fresh green herbal soapy metallic
Luebke, William tgsc, (2006)
 
Odor and/or flavor descriptions from others (if found).
 
Bedoukian Research
2,4-HEXADIENYL ACETATE ≥98.0%, Kosher
Odor Description: powerful, sweet, pineapple
Taste Description: green
The spicy warm quality of this material can add depth to any fruit flavor, particularly pineapple and tropical flavors.
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
Synonyms   Articles   Notes   Search   Top
Suppliers:
Bedoukian Research
2,4-HEXADIENYL ACETATE
≥98.0%, Kosher
Odor: powerful, sweet, pineapple
Flavor: green
The spicy warm quality of this material can add depth to any fruit flavor, particularly pineapple and tropical flavors.
BOC Sciences
For experimental / research use only.
2,4-HEXADIENYL ACETATE 98.0%
Parchem
sorbyl acetate
Penta International
2,4-HEXADIENYL ACETATE
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Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 36 - Irritating to eyes.
R 41 - Risk of serious damage to eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/39 - Wear suitable clothing and eye/face protection.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-rat LD50  4360 ul/kg
Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.

Dermal Toxicity:
skin-rabbit LD50 2520 ul/kg
Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.

Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavoring agents and cosmetic fragrance agents
Recommendation for sorbyl acetate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): .0012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.01 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 1700 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 22
Click here to view publication 22
 average usual ppmaverage maximum ppm
baked goods: 0.5000010.00000
beverages(nonalcoholic): 2.0000020.00000
beverages(alcoholic): 2.0000020.00000
breakfast cereal: 0.5000010.00000
cheese: --
chewing gum: 5.0000025.00000
condiments / relishes: --
confectionery froastings: 5.0000025.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: 1.0000020.00000
fruit ices: 1.0000020.00000
gelatins / puddings: 5.0000025.00000
granulated sugar: --
gravies: --
hard candy: 1.0000010.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: 5.0000025.00000
meat products: --
milk products: 5.0000025.00000
nut products: --
other grains: --
poultry: --
processed fruits: 5.0000025.00000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 1.0000010.00000
snack foods: 5.0000025.00000
soft candy: 1.0000010.00000
soups: --
sugar substitutes: --
sweet sauces: 1.000005.00000
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 5.0000025.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): --
Edible ices, including sherbet and sorbet (03.0): 4.0000020.00000
Processed fruit (04.1): --
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): 5.0000025.00000
Confectionery (05.0): 5.0000025.00000
Chewing gum (05.0): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 2.0000010.00000
Bakery wares (07.0): 5.0000025.00000
Meat and meat products, including poultry and game (08.0): --
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): --
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 2.0000010.00000
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 2.0000020.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 4.0000020.00000
Ready-to-eat savouries (15.0): 5.0000025.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 3.0000025.00000
Synonyms   Articles   Notes   Search   Top
Safety References:
Flavor & Extract Manufacturers Association (FEMA) reference(s):
The FEMA GRAS assessment of alpha,beta-unsaturated aldehydes and related substances used as flavor ingredients. View pdf
European Food Safety Athority(EFSA): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
European Food Safety Authority (EFSA) reference(s):
Flavouring Group Evaluation 203: alpha,beta-Unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.4 of FGE.19 with two or more conjugated double bonds and with or without additional non-conjugated double bonds
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 203, Revision 1 (FGE.203Rev1): a,-Unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.4 of FGE.19 with two or more conjugated double-bonds and with or without additional non-conjugated double-bonds
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 203, Revision 2 (FGE.203Rev2): a,-unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.4 of FGE.19 with two or more conjugated double-bonds and with or without additional non-conjugated double-bonds
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 70, Revision 1 (FGE.70Rev1): consideration of aliphatic, linear, a,-unsaturated, di- and trienals and related alcohols, acids and esters evaluated by JECFA (61st-68th-69th meeting)
View page or View pdf
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 1516-17-2
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 15196
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 1993
WGK Germany: 1
 hexa-2,4-dienyl acetate
Chemidplus: 0001516172
RTECS: AI0350000 for cas# 1516-17-2
Synonyms   Articles   Notes   Search   Top
References:
 hexa-2,4-dienyl acetate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 1516-17-2
Pubchem (cid): 15196
Pubchem (sid): 29283168
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): HMDB32311
FooDB: FDB009559
Export Tariff Code: 2915.39.9500
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
 tagete oil rwanda 
aldehydic
isobutyraldehydeFL/FR
amber
 angelica root oilFL/FR
anise
sweet fennel seed oilFL/FR
anisic
 estragoleFL/FR
 ocimum basilicum herb oilFL/FR
 ocimum basilicum leaf oil americaFL/FR
 ocimum basilicum leaf oil CO2 extractFL/FR
balsamic
 benzyl salicylateFL/FR
 cinnamyl formateFL/FR
burnt
 lepidineFL/FR
caramellic
 helichrysum italicum flower absoluteFL/FR
citrus
 litsea cubeba oil terpenelessFL/FR
 valenceneFL/FR
coconut
delta-heptalactoneFL/FR
earthy
 heptanal cyclic acetal with glycerolFL/FR
1-octen-3-olFL/FR
ethereal
 ethyl 4-pentenoateFL/FR
(E,Z)-2,6-dodecadienalFL/FR
(E)-2-octenalFL/FR
floral
isoamyl salicylateFL/FR
 coriander seed oilFL/FR
beta-damascenoneFL/FR
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 geranium oil africaFL/FR
 geranium oil egyptFL/FR
 hexahydrofarnesyl acetoneFL/FR
 methyl jasmonateFL/FR
 neryl formateFL/FR
isophytolFL/FR
 prenyl salicylateFL/FR
 rose absolute (rosa damascena) turkeyFL/FR
fruity
 butyl 2-decenoateFL/FR
isobutyl octanoateFL/FR
 octyl butyrateFL/FR
isopropyl 2-methyl butyrateFL/FR
green
isobutyl heptanoateFL/FR
isobutyl methyl ketoneFL/FR
2-sec-butyl thiazoleFL/FR
 coriander heptenolFL/FR
 heptanal (aldehyde C-7)FL/FR
1-heptanolFL/FR
1-hepten-3-olFL/FR
(Z)-4-heptenal diethyl acetalFL/FR
(Z)-4-hexen-1-olFL/FR
(Z)-3-hexen-1-olFL/FR
(Z)-3-hexen-1-yl pyruvateFL/FR
3-hexenyl 2-methyl butyrateFL/FR
 hexyl tiglateFL/FR
 melon acetalFL/FR
6-methyl-3-hepten-2-oneFL/FR
 olive oil absoluteFL/FR
 seaweed absolute (fucus vesiculosus et serratus)FL/FR
(E,E)-sorbyl acetate 
herbal
6-acetoxydihydrotheaspiraneFL/FR
alpha-amyl cinnamyl formateFL/FR
 anethum graveolens herb oilFL/FR
 anthemis nobilis flower extractFL/FR
 anthemis nobilis flower oil romanFL/FR
 apium graveolens seed oilFL/FR
sweet basil absoluteFL/FR
(+)-alpha-campholenic aldehydeFL/FR
 celery ketoneFL/FR
1,4-cineoleFL/FR
 clary sage oil franceFL/FR
 coriander oleoresinFL/FR
 dill weed oil cubaFL/FR
 dill weed oil reunionFL/FR
 dimethyl benzyl carbinyl formateFL/FR
 hexyl salicylateFL/FR
 hop absoluteFL/FR
 hop oilFL/FR
 hyssop oilFL/FR
 linalyl formateFL/FR
 linalyl octanoateFL/FR
 marigold oil mexicoFL/FR
 matricaria chamomilla flower oilFL/FR
 melaleuca leucadendron var. cajuputi leaf oilFL/FR
5-methyl-3-heptanoneFL/FR
(E)-6-methyl-3-hepten-2-oneFL/FR
1-octen-3-yl acetateFL/FR
 origanum oilFL/FR
 origanum oil greeceFL/FR
curled parsley seed oilFL/FR
laevo-perillaldehydeFL/FR
 perillaldehydeFL/FR
 rosmarinus officinalis extractFL/FR
 rosmarinus officinalis tinctureFL/FR
 salvia sclarea oilFL/FR
 tagete oil CO2 extractFL/FR
 tagete oil south africaFL/FR
 theaspiraneFL/FR
 thyme absoluteFL/FR
 viridiflorolFL/FR
 wormwood oil americaFL/FR
melon
 melon heptenalFL/FR
minty
(-)-menthoneFL/FR
(-)-isopulegolFL/FR
mossy
 oakmoss absoluteFL/FR
 oakmoss distillatesFL/FR
spicy
isobutyl angelateFL/FR
(-)-cubenolFL/FR
 cuminaldehydeFL/FR
waxy
 octyl isobutyrateFL/FR
woody
 sabineneFL/FR
 
For Flavor
 
No flavor group found for these
6-acetoxydihydrotheaspiraneFL/FR
alpha-amyl cinnamyl formateFL/FR
isobutyl heptanoateFL/FR
isobutyl octanoateFL/FR
4-butyl thiazoleFL
2-sec-butyl thiazoleFL/FR
 coriander heptenolFL/FR
 dimethyl benzyl carbinyl formateFL/FR
 ethyl 4-pentenoateFL/FR
 fig leaf absoluteFL
 heptanal cyclic acetal with glycerolFL/FR
(E,E)-2,4-hexadien-1-olFL
 linalyl formateFL/FR
 melaleuca leucadendron var. cajuputi leaf oilFL/FR
(E)-6-methyl-3-hepten-2-oneFL/FR
6-methyl-3-hepten-2-oneFL/FR
3-pentanolFL
2-propyl thiazoleFL
 seaweed absolute (fucus vesiculosus et serratus)FL/FR
 tagete oil rwanda 
 viridiflorolFL/FR
absinthe
 absinthe flavorFL
aldehydic
isobutyraldehydeFL/FR
anise
sweet fennel seed oilFL/FR
aromatic
laevo-perillaldehydeFL/FR
balsamic
 benzyl salicylateFL/FR
citrus
 valenceneFL/FR
cooling
1,4-cineoleFL/FR
 theaspiraneFL/FR
creamy
 octyl isobutyrateFL/FR
fatty
(E,E)-2,4-decadienalFL
(E,E)-2,4-heptadienalFL
(E)-2-octenalFL/FR
floral
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 geranium oil africaFL/FR
 geranium oil egyptFL/FR
 lepidineFL/FR
 methyl jasmonateFL/FR
 rose absolute (rosa damascena) turkeyFL/FR
fruity
 butyl 2-decenoateFL/FR
 linalyl octanoateFL/FR
5-methyl-3-heptanoneFL/FR
 neryl formateFL/FR
isopropyl 2-methyl butyrateFL/FR
 tagete oil CO2 extractFL/FR
 tagete oil south africaFL/FR
green
 aloe vera flavorFL
isoamyl salicylateFL/FR
 angelica root oilFL/FR
isobutyl angelateFL/FR
isobutyl methyl ketoneFL/FR
(+)-alpha-campholenic aldehydeFL/FR
 celery ketoneFL/FR
(E,Z)-2,6-dodecadienalFL/FR
 helichrysum italicum flower absoluteFL/FR
 heptanal (aldehyde C-7)FL/FR
1-hepten-3-olFL/FR
(Z)-4-heptenal diethyl acetalFL/FR
 hexahydrofarnesyl acetoneFL/FR
(Z)-4-hexen-1-olFL/FR
(Z)-3-hexen-1-olFL/FR
(Z)-3-hexen-1-yl pyruvateFL/FR
3-hexenyl 2-methyl butyrateFL/FR
 hexyl tiglateFL/FR
 lettuce flavorFL
 melon acetalFL/FR
 melon heptenalFL/FR
 oakmoss absoluteFL/FR
1-octen-3-yl acetateFL/FR
(E,E)-sorbyl acetate 
herbal
 anethum graveolens herb oilFL/FR
 anthemis nobilis flower extractFL/FR
 anthemis nobilis flower oil romanFL/FR
 apium graveolens seed oilFL/FR
sweet basil absoluteFL/FR
 celery flavorFL
 celery seed oil distillatesFL
 cilantro flavorFL
 clary sage oil franceFL/FR
 clover herb distillate (melilotus officinalis)FL
 coriander oleoresinFL/FR
 coriander seed oilFL/FR
 dill flavorFL
 dill weed oil cubaFL/FR
 dill weed oil reunionFL/FR
 hexyl salicylateFL/FR
 hop absoluteFL/FR
 hop oilFL/FR
 hyssop oilFL/FR
 marigold oil mexicoFL/FR
 matricaria chamomilla flower oilFL/FR
 ocimum basilicum herb oilFL/FR
 ocimum basilicum leaf oil americaFL/FR
 ocimum basilicum leaf oil CO2 extractFL/FR
 origanum oilFL/FR
 origanum oil greeceFL/FR
curled parsley seed oilFL/FR
curled parsley seed oleoresinFL
 prenyl salicylateFL/FR
 rosmarinus officinalis extractFL/FR
 rosmarinus officinalis tinctureFL/FR
 salvia sclarea oilFL/FR
 thyme absoluteFL/FR
 wormwood oil americaFL/FR
lactonic
delta-heptalactoneFL/FR
lemon
 litsea cubeba oil terpenelessFL/FR
licorice
 estragoleFL/FR
minty
(-)-menthoneFL/FR
(-)-isopulegolFL/FR
mossy
 oakmoss distillatesFL/FR
mushroom
1-octen-3-olFL/FR
oily
 olive oil absoluteFL/FR
isophytolFL/FR
solvent
1-heptanolFL/FR
spicy
 cinnamyl formateFL/FR
(-)-cubenolFL/FR
 cumin oleoresinFL
 cuminaldehydeFL/FR
 geranium flavorFL
 perillaldehydeFL/FR
waxy
 octyl butyrateFL/FR
woody
beta-damascenoneFL/FR
 sabineneFL/FR
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
 fruitFR
 greenFL
 herbalFL
 mangoFL
 parsley leafFL/FR
 passion fruitFR
 pineappleFL
 pumpkinFL
 tropicalFL
 vegetableFL
 watercress nasturtium 
 wineFL
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 found in nature
Synonyms   Articles   Notes   Search   Top
Synonyms:
 acetic acid 2,4-hexadien-1-ol ester
 acetic acid 2,4-hexadien-1-yl ester
 hexa-2,4-dien-1-yl acetate
 hexa-2,4-dienyl acetate
2,4-hexadien-1-ol, acetate
2,4-hexadien-1-yl acetate
2,4-hexadienyl acetate
 sorbyl acetate
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